General Information of the Compound
| Compound ID |
CP0557852
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| Compound Name |
N-[(2S)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C32H40Br2N6O4
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| Molecular Weight |
732.518
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| Canonical SMILES |
Oc1c(Br)cc(C[C@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1Br
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| InChI |
InChI=1S/C32H40Br2N6O4/c33-24-18-21(19-25(34)29(24)41)20-27(30(42)38-14-8-22(9-15-38)37-12-4-1-5-13-37)36-31(43)39-16-10-23(11-17-39)40-28-7-3-2-6-26(28)35-32(40)44/h2-3,6-7,18-19,22-23,27,41H,1,4-5,8-17,20H2,(H,35,44)(H,36,43)/t27-/m0/s1
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| InChIKey |
HSLRVLOIHHUQLE-MHZLTWQESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound